4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene

C13H18O — CID 153201426

IUPAC4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
SMILESCOc1cccc2c1CCCCCC2
InChIInChI=1S/C13H18O/c1-14-13-10-6-8-11-7-4-2-3-5-9-12(11)13/h6,8,10H,2-5,7,9H2,1H3
InChIKeyWJZLCIGHYVRMPH-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.35
Rot. Bonds1

About 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene

4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene (PubChem CID 153201426) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene.

Molecular Properties

Compound Name4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
PubChem CID153201426
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
SMILESCOc1cccc2c1CCCCCC2
InChIInChI=1S/C13H18O/c1-14-13-10-6-8-11-7-4-2-3-5-9-12(11)13/h6,8,10H,2-5,7,9H2,1H3
InChIKeyWJZLCIGHYVRMPH-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 143731068
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene
CID 14737390
16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene
CID 14816261
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021
1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 82304855
N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The IUPAC name of 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene (CID 153201426) is 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene.
What is the SMILES notation for 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The canonical SMILES for 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene is COc1cccc2c1CCCCCC2.
What is the InChIKey of 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The InChIKey is WJZLCIGHYVRMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-14-13-10-6-8-11-7-4-2-3-5-9-12(11)13/h6,8,10H,2-5,7,9H2,1H3.
What are the key properties of 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene has a molecular weight of 190.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene is sourced from PubChem (CID 153201426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).