9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate

C27H28FNO6 — CID 171887169

IUPAC9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate
SMILESCOCOc1ccc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1
InChIInChI=1S/C27H28FNO6/c1-33-16-35-17-10-11-22(24(28)14-17)26(31)25(30)12-13-29-27(32)34-15-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-11,14,23,25-26,30-31H,12-13,15-16H2,1H3,(H,29,32)
InChIKeySTOPTSHDMFYTFA-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.13
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate

9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate (PubChem CID 171887169) has the molecular formula C27H28FNO6 and a molecular weight of 481.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate
PubChem CID171887169
Molecular FormulaC27H28FNO6
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate
SMILESCOCOc1ccc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1
InChIInChI=1S/C27H28FNO6/c1-33-16-35-17-10-11-22(24(28)14-17)26(31)25(30)12-13-29-27(32)34-15-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-11,14,23,25-26,30-31H,12-13,15-16H2,1H3,(H,29,32)
InChIKeySTOPTSHDMFYTFA-UHFFFAOYSA-N
XLogP4.13
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170834709
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2,4,5-trifluorophenyl)butyl]carbamate
CID 171886450
9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050
2-[4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-3-fluorophenyl]acetic acid
CID 171887173
2-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-4-fluorobenzoic acid
CID 171887298
9H-fluoren-9-ylmethyl N-[4-(3-chloro-2,4-difluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886453
9H-fluoren-9-ylmethyl N-[4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886389
methyl 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2,6-difluorobenzoate
CID 171887497
9H-fluoren-9-ylmethyl N-[4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886334
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886928
9H-fluoren-9-ylmethyl N-[4-(2-ethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886565
9H-fluoren-9-ylmethyl N-[4-(4-bromo-2-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171887754

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate (CID 171887169) is 9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate is COCOc1ccc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate?
The InChIKey is STOPTSHDMFYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO6/c1-33-16-35-17-10-11-22(24(28)14-17)26(31)25(30)12-13-29-27(32)34-15-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-11,14,23,25-26,30-31H,12-13,15-16H2,1H3,(H,29,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate has a molecular weight of 481.52 g/mol, XLogP of 4.13, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171887169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).