2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol

C12H16O2 — CID 14939211

IUPAC2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol
SMILESC=C[C@@H](C)[C@@](C)(O)c1ccccc1O
InChIInChI=1S/C12H16O2/c1-4-9(2)12(3,14)10-7-5-6-8-11(10)13/h4-9,13-14H,1H2,2-3H3/t9-,12-/m1/s1
InChIKeyDBCFGHNZTIRKDH-BXKDBHETSA-N
MW192.26 g/mol
LogP2.42
Rot. Bonds3

About 2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol

2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol (PubChem CID 14939211) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol.

Molecular Properties

Compound Name2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol
PubChem CID14939211
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol
SMILESC=C[C@@H](C)[C@@](C)(O)c1ccccc1O
InChIInChI=1S/C12H16O2/c1-4-9(2)12(3,14)10-7-5-6-8-11(10)13/h4-9,13-14H,1H2,2-3H3/t9-,12-/m1/s1
InChIKeyDBCFGHNZTIRKDH-BXKDBHETSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol
CID 14939216
2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol
CID 11514371
2-(2-hydroxybut-3-en-2-yl)phenol
CID 13380598
2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol
CID 142658969
(2R,3R)-2-[dimethyl(phenyl)silyl]-3-methylpent-4-en-2-ol
CID 102406326
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
CID 172777673
CID 172777673
2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one
CID 141323363
2-tert-butylphenol;2-methylprop-1-ene
CID 160954539
(2R,3S)-3-methyl-2-(2,4,6-trimethylphenyl)pent-4-en-2-ol
CID 11172007
2-(2,4-dimethylpentan-2-yl)phenol
CID 130033445
2-hydroxy-3-methyl-2-phenylpent-4-enoic acid
CID 13026557

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol?
The IUPAC name of 2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol (CID 14939211) is 2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol.
What is the SMILES notation for 2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol?
The canonical SMILES for 2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol is C=C[C@@H](C)[C@@](C)(O)c1ccccc1O.
What is the InChIKey of 2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol?
The InChIKey is DBCFGHNZTIRKDH-BXKDBHETSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-9(2)12(3,14)10-7-5-6-8-11(10)13/h4-9,13-14H,1H2,2-3H3/t9-,12-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol?
2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol has a molecular weight of 192.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol is sourced from PubChem (CID 14939211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).