4-[(3S)-4-hydroxyhexan-3-yl]phenol

C12H18O2 — CID 175488649

IUPAC4-[(3S)-4-hydroxyhexan-3-yl]phenol
SMILESCCC(O)[C@@H](CC)c1ccc(O)cc1
InChIInChI=1S/C12H18O2/c1-3-11(12(14)4-2)9-5-7-10(13)8-6-9/h5-8,11-14H,3-4H2,1-2H3/t11-,12?/m0/s1
InChIKeyGYHOCDZLVMKCHU-PXYINDEMSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds4

About 4-[(3S)-4-hydroxyhexan-3-yl]phenol

4-[(3S)-4-hydroxyhexan-3-yl]phenol (PubChem CID 175488649) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-[(3S)-4-hydroxyhexan-3-yl]phenol.

Molecular Properties

Compound Name4-[(3S)-4-hydroxyhexan-3-yl]phenol
PubChem CID175488649
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-[(3S)-4-hydroxyhexan-3-yl]phenol
SMILESCCC(O)[C@@H](CC)c1ccc(O)cc1
InChIInChI=1S/C12H18O2/c1-3-11(12(14)4-2)9-5-7-10(13)8-6-9/h5-8,11-14H,3-4H2,1-2H3/t11-,12?/m0/s1
InChIKeyGYHOCDZLVMKCHU-PXYINDEMSA-N
XLogP2.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylhexan-3-yl)phenol
CID 123259382
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-(4-phenylphenyl)hexan-3-ol
CID 175539403
4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
CID 4546967
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 160569635
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid
CID 12962939
4-(4-methyloctan-3-yl)phenol
CID 91753369
4-(3-methylheptan-4-yl)phenol
CID 123454111
1-amino-2-(4-methylphenyl)pentan-3-ol
CID 65187998
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-4-hydroxyhexan-3-yl]phenol?
The IUPAC name of 4-[(3S)-4-hydroxyhexan-3-yl]phenol (CID 175488649) is 4-[(3S)-4-hydroxyhexan-3-yl]phenol.
What is the SMILES notation for 4-[(3S)-4-hydroxyhexan-3-yl]phenol?
The canonical SMILES for 4-[(3S)-4-hydroxyhexan-3-yl]phenol is CCC(O)[C@@H](CC)c1ccc(O)cc1.
What is the InChIKey of 4-[(3S)-4-hydroxyhexan-3-yl]phenol?
The InChIKey is GYHOCDZLVMKCHU-PXYINDEMSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-11(12(14)4-2)9-5-7-10(13)8-6-9/h5-8,11-14H,3-4H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of 4-[(3S)-4-hydroxyhexan-3-yl]phenol?
4-[(3S)-4-hydroxyhexan-3-yl]phenol has a molecular weight of 194.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-4-hydroxyhexan-3-yl]phenol is sourced from PubChem (CID 175488649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).