benzene;hexan-2-ol

C12H20O — CID 174579547

IUPACbenzene;hexan-2-ol
SMILESCCCCC(C)O.c1ccccc1
InChIInChI=1S/C6H14O.C6H6/c1-3-4-5-6(2)7;1-2-4-6-5-3-1/h6-7H,3-5H2,1-2H3;1-6H
InChIKeyRUWBGQOUZWLNOD-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.24
Rot. Bonds3

About benzene;hexan-2-ol

benzene;hexan-2-ol (PubChem CID 174579547) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is benzene;hexan-2-ol.

Molecular Properties

Compound Namebenzene;hexan-2-ol
PubChem CID174579547
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Namebenzene;hexan-2-ol
SMILESCCCCC(C)O.c1ccccc1
InChIInChI=1S/C6H14O.C6H6/c1-3-4-5-6(2)7;1-2-4-6-5-3-1/h6-7H,3-5H2,1-2H3;1-6H
InChIKeyRUWBGQOUZWLNOD-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-heptan-2-ol
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(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
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(2S)-heptan-2-ol;hydrochloride
CID 141119609
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
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CID 170722506
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CID 172733454

Frequently Asked Questions

What is the IUPAC name of benzene;hexan-2-ol?
The IUPAC name of benzene;hexan-2-ol (CID 174579547) is benzene;hexan-2-ol.
What is the SMILES notation for benzene;hexan-2-ol?
The canonical SMILES for benzene;hexan-2-ol is CCCCC(C)O.c1ccccc1.
What is the InChIKey of benzene;hexan-2-ol?
The InChIKey is RUWBGQOUZWLNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C6H6/c1-3-4-5-6(2)7;1-2-4-6-5-3-1/h6-7H,3-5H2,1-2H3;1-6H.
What are the key properties of benzene;hexan-2-ol?
benzene;hexan-2-ol has a molecular weight of 180.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hexan-2-ol is sourced from PubChem (CID 174579547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).