CID 164811307

C29H32O3 — CID 164811307

IUPAC—
SMILESCOc1ccc2c(c1)C1(CCC3(CCCCC3)CC1)c1cc(O)c3cc(OC)ccc3c1-2
InChIInChI=1S/C29H32O3/c1-31-19-6-8-21-23(16-19)26(30)18-25-27(21)22-9-7-20(32-2)17-24(22)29(25)14-12-28(13-15-29)10-4-3-5-11-28/h6-9,16-18,30H,3-5,10-15H2,1-2H3
InChIKeyBOLYNRNQDVQYRQ-UHFFFAOYSA-N
MW428.57 g/mol
LogP7.35
Rot. Bonds2

About CID 164811307

CID 164811307 (PubChem CID 164811307) has the molecular formula C29H32O3 and a molecular weight of 428.57 g/mol.

Molecular Properties

Compound NameCID 164811307
PubChem CID164811307
Molecular FormulaC29H32O3
Molecular Weight428.57 g/mol
Exact Mass428.24
IUPAC Name—
SMILESCOc1ccc2c(c1)C1(CCC3(CCCCC3)CC1)c1cc(O)c3cc(OC)ccc3c1-2
InChIInChI=1S/C29H32O3/c1-31-19-6-8-21-23(16-19)26(30)18-25-27(21)22-9-7-20(32-2)17-24(22)29(25)14-12-28(13-15-29)10-4-3-5-11-28/h6-9,16-18,30H,3-5,10-15H2,1-2H3
InChIKeyBOLYNRNQDVQYRQ-UHFFFAOYSA-N
XLogP7.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol
CID 170123001
20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol
CID 59480291
7-ethyl-3-methoxybenzo[c]fluorene-5,7-diol
CID 68850071
3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol
CID 170035779
4-methoxy-2-(1-phenylcyclopentyl)phenol
CID 68895977
17-methoxy-9-methyl-4-oxapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(21),7(12),8,10,13,15,17,19-octaen-20-ol
CID 23573968
2-methoxy-6',8',8'-trimethylspiro[benzo[c]fluorene-7,7'-tricyclo[4.2.0.01,3]octane]-5-ol
CID 163545005
3,4,7-trimethoxy-9H-fluoren-2-ol
CID 174383532
2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol
CID 161242797
8-(4-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819307
1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
CID 171367787
3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol
CID 168870668

Frequently Asked Questions

What is the IUPAC name of CID 164811307?
The IUPAC name of CID 164811307 (CID 164811307) is not available.
What is the SMILES notation for CID 164811307?
The canonical SMILES for CID 164811307 is COc1ccc2c(c1)C1(CCC3(CCCCC3)CC1)c1cc(O)c3cc(OC)ccc3c1-2.
What is the InChIKey of CID 164811307?
The InChIKey is BOLYNRNQDVQYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O3/c1-31-19-6-8-21-23(16-19)26(30)18-25-27(21)22-9-7-20(32-2)17-24(22)29(25)14-12-28(13-15-29)10-4-3-5-11-28/h6-9,16-18,30H,3-5,10-15H2,1-2H3.
What are the key properties of CID 164811307?
CID 164811307 has a molecular weight of 428.57 g/mol, XLogP of 7.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164811307 is sourced from PubChem (CID 164811307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).