(6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate

C25H25NO4 — CID 70270381

IUPAC(6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate
SMILESO=C(OCC1(O)Cc2ccccc2CCC1O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c27-23-16-15-19-9-7-8-10-20(19)17-25(23,29)18-30-24(28)26(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-14,23,27,29H,15-18H2
InChIKeyVKROOPUONQQFLX-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.24
Rot. Bonds4

About (6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate

(6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate (PubChem CID 70270381) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate.

Molecular Properties

Compound Name(6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate
PubChem CID70270381
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate
SMILESO=C(OCC1(O)Cc2ccccc2CCC1O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO4/c27-23-16-15-19-9-7-8-10-20(19)17-25(23,29)18-30-24(28)26(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-14,23,27,29H,15-18H2
InChIKeyVKROOPUONQQFLX-UHFFFAOYSA-N
XLogP4.24
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate?
The IUPAC name of (6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate (CID 70270381) is (6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate.
What is the SMILES notation for (6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate?
The canonical SMILES for (6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate is O=C(OCC1(O)Cc2ccccc2CCC1O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate?
The InChIKey is VKROOPUONQQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c27-23-16-15-19-9-7-8-10-20(19)17-25(23,29)18-30-24(28)26(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-14,23,27,29H,15-18H2.
What are the key properties of (6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate?
(6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate has a molecular weight of 403.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)methyl N,N-diphenylcarbamate is sourced from PubChem (CID 70270381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).