9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate

C30H27NO4 — CID 135353911

IUPAC9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate
SMILESCOc1ccc(-c2cccc(CO)c2)c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C30H27NO4/c1-34-23-13-14-24(21-8-6-7-20(15-21)18-32)22(16-23)17-31-30(33)35-19-29-27-11-4-2-9-25(27)26-10-3-5-12-28(26)29/h2-16,29,32H,17-19H2,1H3,(H,31,33)
InChIKeyFLWPGUUBIHQNQB-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.89
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate

9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate (PubChem CID 135353911) has the molecular formula C30H27NO4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate
PubChem CID135353911
Molecular FormulaC30H27NO4
Molecular Weight465.55 g/mol
Exact Mass465.19
IUPAC Name9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate
SMILESCOc1ccc(-c2cccc(CO)c2)c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C30H27NO4/c1-34-23-13-14-24(21-8-6-7-20(15-21)18-32)22(16-23)17-31-30(33)35-19-29-27-11-4-2-9-25(27)26-10-3-5-12-28(26)29/h2-16,29,32H,17-19H2,1H3,(H,31,33)
InChIKeyFLWPGUUBIHQNQB-UHFFFAOYSA-N
XLogP5.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 57188934
9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate
CID 11975088
9H-fluoren-9-ylmethyl N-[[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanyl-5-methoxyphenyl]methyl]carbamate
CID 129079536
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(4-methoxyphenyl)phenyl]propanoic acid
CID 177277599
9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate
CID 87430743
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
CID 136547452
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate
CID 170834464
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(4-methoxyphenyl)propanoic acid
CID 7014947
9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169469405
tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxyphenyl)propanoate
CID 11038063
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-methoxyphenyl)propanoic acid
CID 163335635

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate (CID 135353911) is 9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate is COc1ccc(-c2cccc(CO)c2)c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate?
The InChIKey is FLWPGUUBIHQNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4/c1-34-23-13-14-24(21-8-6-7-20(15-21)18-32)22(16-23)17-31-30(33)35-19-29-27-11-4-2-9-25(27)26-10-3-5-12-28(26)29/h2-16,29,32H,17-19H2,1H3,(H,31,33).
What are the key properties of 9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate?
9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate has a molecular weight of 465.55 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate is sourced from PubChem (CID 135353911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).