9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate

C27H27NO6 — CID 170834905

IUPAC9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccc(C2OCCO2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H27NO6/c29-24(25(30)17-9-11-18(12-10-17)26-32-13-14-33-26)15-28-27(31)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-26,29-30H,13-16H2,(H,28,31)
InChIKeyCKQGWFWXIJUMEW-UHFFFAOYSA-N
MW461.51 g/mol
LogP3.66
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate (PubChem CID 170834905) has the molecular formula C27H27NO6 and a molecular weight of 461.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
PubChem CID170834905
Molecular FormulaC27H27NO6
Molecular Weight461.51 g/mol
Exact Mass461.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccc(C2OCCO2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H27NO6/c29-24(25(30)17-9-11-18(12-10-17)26-32-13-14-33-26)15-28-27(31)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-26,29-30H,13-16H2,(H,28,31)
InChIKeyCKQGWFWXIJUMEW-UHFFFAOYSA-N
XLogP3.66
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-iodophenyl)propyl]carbamate
CID 170835442
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate
CID 170834215
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834099
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170835144
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-methylsulfanylphenyl)propyl]carbamate
CID 170833717
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propyl]carbamate
CID 170834115
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833963
9H-fluoren-9-ylmethyl N-[3-(3-chloro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833770
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833941
4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid
CID 170835035

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate (CID 170834905) is 9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1ccc(C2OCCO2)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate?
The InChIKey is CKQGWFWXIJUMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO6/c29-24(25(30)17-9-11-18(12-10-17)26-32-13-14-33-26)15-28-27(31)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-26,29-30H,13-16H2,(H,28,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 461.51 g/mol, XLogP of 3.66, 7 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-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).