(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol

C13H16O2 — CID 11321665

IUPAC(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol
SMILESO[C@@H]1C=CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H16O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-4,6-8,12-14H,5,9-10H2/t12-,13+/m1/s1
InChIKeyWMKDXDUNSSYMMX-OLZOCXBDSA-N
MW204.27 g/mol
LogP2.28
Rot. Bonds3

About (1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol

(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol (PubChem CID 11321665) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol
PubChem CID11321665
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol
SMILESO[C@@H]1C=CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H16O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-4,6-8,12-14H,5,9-10H2/t12-,13+/m1/s1
InChIKeyWMKDXDUNSSYMMX-OLZOCXBDSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-phenylmethoxycyclohex-2-en-1-amine
CID 22329463
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate
CID 10844304
(1S,4S,4aS,8aR)-4-phenylmethoxy-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol
CID 101108309
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
3-phenylmethoxycycloheptene
CID 12512694
(3R,4R,5R,7Z)-4,5-bis(phenylmethoxy)-3,4,5,6-tetrahydro-2H-oxocin-3-ol
CID 101457735
[(1S,5S,6S)-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]-trimethylsilane
CID 134867155

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol?
The IUPAC name of (1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol (CID 11321665) is (1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol.
What is the SMILES notation for (1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol?
The canonical SMILES for (1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol is O[C@@H]1C=CCC[C@@H]1OCc1ccccc1.
What is the InChIKey of (1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol?
The InChIKey is WMKDXDUNSSYMMX-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H16O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-4,6-8,12-14H,5,9-10H2/t12-,13+/m1/s1.
What are the key properties of (1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol?
(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol has a molecular weight of 204.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol is sourced from PubChem (CID 11321665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).