1,2,3,4,4a,5-hexahydronaphthalen-1-ol

C10H14O — CID 91026557

IUPAC1,2,3,4,4a,5-hexahydronaphthalen-1-ol
SMILESOC1CCCC2CC=CC=C12
InChIInChI=1S/C10H14O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,6,8,10-11H,3-5,7H2
InChIKeyXMBLETGTABVBTD-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.03
Rot. Bonds

About 1,2,3,4,4a,5-hexahydronaphthalen-1-ol

1,2,3,4,4a,5-hexahydronaphthalen-1-ol (PubChem CID 91026557) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydronaphthalen-1-ol
PubChem CID91026557
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1,2,3,4,4a,5-hexahydronaphthalen-1-ol
SMILESOC1CCCC2CC=CC=C12
InChIInChI=1S/C10H14O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,6,8,10-11H,3-5,7H2
InChIKeyXMBLETGTABVBTD-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexylcyclohexa-2,4-dien-1-ol
CID 173193560
1,2,3,4,4a,5-hexahydronaphthalen-1-amine
CID 139821666
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-1-ol
CID 141374768
2,3,3a,4-tetrahydro-1H-indene;ethane-1,2-diol;titanium(2+);dichloride
CID 174467670
1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride
CID 172863415
2,3,3a,4-tetrahydro-1H-inden-1-yl(dimethyl)silane
CID 150074036
4-cyclopenta-1,3-dien-1-ylcyclooctene
CID 163506625
2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol
CID 123397571
2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate
CID 150816342
2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate
CID 150441183
3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
CID 90700641
1,3,3a,4-tetrahydro-2-benzofuran-1-carboxylic acid
CID 66628500

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydronaphthalen-1-ol?
The IUPAC name of 1,2,3,4,4a,5-hexahydronaphthalen-1-ol (CID 91026557) is 1,2,3,4,4a,5-hexahydronaphthalen-1-ol.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydronaphthalen-1-ol?
The canonical SMILES for 1,2,3,4,4a,5-hexahydronaphthalen-1-ol is OC1CCCC2CC=CC=C12.
What is the InChIKey of 1,2,3,4,4a,5-hexahydronaphthalen-1-ol?
The InChIKey is XMBLETGTABVBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,6,8,10-11H,3-5,7H2.
What are the key properties of 1,2,3,4,4a,5-hexahydronaphthalen-1-ol?
1,2,3,4,4a,5-hexahydronaphthalen-1-ol has a molecular weight of 150.22 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydronaphthalen-1-ol is sourced from PubChem (CID 91026557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).