1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol

C16H24O3 — CID 23730575

IUPAC1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
SMILESCOc1ccc2c(c1OC)CCCCCCCC2O
InChIInChI=1S/C16H24O3/c1-18-15-11-10-12-13(16(15)19-2)8-6-4-3-5-7-9-14(12)17/h10-11,14,17H,3-9H2,1-2H3
InChIKeyKSGMPXWAOILAAR-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.63
Rot. Bonds2

About 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol

1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol (PubChem CID 23730575) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol.

Molecular Properties

Compound Name1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
PubChem CID23730575
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
SMILESCOc1ccc2c(c1OC)CCCCCCCC2O
InChIInChI=1S/C16H24O3/c1-18-15-11-10-12-13(16(15)19-2)8-6-4-3-5-7-9-14(12)17/h10-11,14,17H,3-9H2,1-2H3
InChIKeyKSGMPXWAOILAAR-UHFFFAOYSA-N
XLogP3.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol with MolForge

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Related Compounds

5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109
(5S)-4-chloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 104546659
(NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine
CID 5380531
1-(tert-butylamino)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 163779890
methyl 5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 11311593
methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 124559713
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
(1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 124843881
2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole
CID 129362563
1-(2-chloroethyl)-6,7-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepine
CID 54555454
5-chloro-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 55108947

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol?
The IUPAC name of 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol (CID 23730575) is 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol.
What is the SMILES notation for 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol?
The canonical SMILES for 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol is COc1ccc2c(c1OC)CCCCCCCC2O.
What is the InChIKey of 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol?
The InChIKey is KSGMPXWAOILAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-18-15-11-10-12-13(16(15)19-2)8-6-4-3-5-7-9-14(12)17/h10-11,14,17H,3-9H2,1-2H3.
What are the key properties of 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol?
1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol has a molecular weight of 264.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol is sourced from PubChem (CID 23730575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).