9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate

C30H27NO5 — CID 19605005

IUPAC9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C30H27NO5/c1-34-21-15-16-26(28(17-21)35-2)29(19-11-13-20(32)14-12-19)31-30(33)36-18-27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h3-17,27,29,32H,18H2,1-2H3,(H,31,33)
InChIKeyHYPUPECHZJVWDE-UHFFFAOYSA-N
MW481.55 g/mol
LogP6.04
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate

9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate (PubChem CID 19605005) has the molecular formula C30H27NO5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate
PubChem CID19605005
Molecular FormulaC30H27NO5
Molecular Weight481.55 g/mol
Exact Mass481.19
IUPAC Name9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C30H27NO5/c1-34-21-15-16-26(28(17-21)35-2)29(19-11-13-20(32)14-12-19)31-30(33)36-18-27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h3-17,27,29,32H,18H2,1-2H3,(H,31,33)
InChIKeyHYPUPECHZJVWDE-UHFFFAOYSA-N
XLogP6.04
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate (CID 19605005) is 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate is COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(O)cc2)c(OC)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate?
The InChIKey is HYPUPECHZJVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO5/c1-34-21-15-16-26(28(17-21)35-2)29(19-11-13-20(32)14-12-19)31-30(33)36-18-27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h3-17,27,29,32H,18H2,1-2H3,(H,31,33).
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate?
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate has a molecular weight of 481.55 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)-(4-hydroxyphenyl)methyl]carbamate is sourced from PubChem (CID 19605005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).