9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate

C31H29NO6 — CID 170835359

IUPAC9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccc(OCc2ccccc2)cc1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H29NO6/c33-28-16-21(37-18-20-8-2-1-3-9-20)14-15-26(28)30(35)29(34)17-32-31(36)38-19-27-24-12-6-4-10-22(24)23-11-5-7-13-25(23)27/h1-16,27,29-30,33-35H,17-19H2,(H,32,36)
InChIKeyWFMHOUKVFWAZRU-UHFFFAOYSA-N
MW511.57 g/mol
LogP4.90
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate (PubChem CID 170835359) has the molecular formula C31H29NO6 and a molecular weight of 511.57 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate
PubChem CID170835359
Molecular FormulaC31H29NO6
Molecular Weight511.57 g/mol
Exact Mass511.20
IUPAC Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccc(OCc2ccccc2)cc1O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H29NO6/c33-28-16-21(37-18-20-8-2-1-3-9-20)14-15-26(28)30(35)29(34)17-32-31(36)38-19-27-24-12-6-4-10-22(24)23-11-5-7-13-25(23)27/h1-16,27,29-30,33-35H,17-19H2,(H,32,36)
InChIKeyWFMHOUKVFWAZRU-UHFFFAOYSA-N
XLogP4.90
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.57
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2,4-dihydroxybenzoic acid
CID 170834708
9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170834709
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833767
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833785
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170835406
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid
CID 170834777
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-hydroxynaphthalen-2-yl)propyl]carbamate
CID 170834917
9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833702
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[3-(2-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833835
benzyl N-[3-(4-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855523

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate (CID 170835359) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate is O=C(NCC(O)C(O)c1ccc(OCc2ccccc2)cc1O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate?
The InChIKey is WFMHOUKVFWAZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO6/c33-28-16-21(37-18-20-8-2-1-3-9-20)14-15-26(28)30(35)29(34)17-32-31(36)38-19-27-24-12-6-4-10-22(24)23-11-5-7-13-25(23)27/h1-16,27,29-30,33-35H,17-19H2,(H,32,36).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate?
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate has a molecular weight of 511.57 g/mol, XLogP of 4.90, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propyl]carbamate is sourced from PubChem (CID 170835359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).