(E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol

C18H26O2 — CID 6442590

IUPAC(E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol
SMILESOC/C=C/CC[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C18H26O2/c19-14-8-2-5-11-17-12-6-7-13-18(17)20-15-16-9-3-1-4-10-16/h1-4,8-10,17-19H,5-7,11-15H2/b8-2+/t17-,18-/m0/s1
InChIKeyHPBMLHURPIZYGU-WWMFUTFBSA-N
MW274.40 g/mol
LogP4.09
Rot. Bonds7

About (E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol

(E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol (PubChem CID 6442590) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol
PubChem CID6442590
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol
SMILESOC/C=C/CC[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C18H26O2/c19-14-8-2-5-11-17-12-6-7-13-18(17)20-15-16-9-3-1-4-10-16/h1-4,8-10,17-19H,5-7,11-15H2/b8-2+/t17-,18-/m0/s1
InChIKeyHPBMLHURPIZYGU-WWMFUTFBSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.09
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

cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
[(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene
CID 122394514
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
bromo-[(1S,2S)-2-phenylmethoxycyclohexyl]mercury
CID 134981077
CID 15200792
CID 15200792
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
cis-(1R,2S)-1-[(2S)-2-methoxy-4-methylpent-4-enyl]-2-phenylmethoxycycloheptane
CID 122384803
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
cis-(1R,2S)-1-methoxy-2-phenylmethoxycycloheptane;ethylbenzene
CID 142842449
2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid
CID 67809766

Frequently Asked Questions

What is the IUPAC name of (E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol?
The IUPAC name of (E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol (CID 6442590) is (E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol.
What is the SMILES notation for (E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol?
The canonical SMILES for (E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol is OC/C=C/CC[C@H]1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of (E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol?
The InChIKey is HPBMLHURPIZYGU-WWMFUTFBSA-N. The full InChI is InChI=1S/C18H26O2/c19-14-8-2-5-11-17-12-6-7-13-18(17)20-15-16-9-3-1-4-10-16/h1-4,8-10,17-19H,5-7,11-15H2/b8-2+/t17-,18-/m0/s1.
What are the key properties of (E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol?
(E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol has a molecular weight of 274.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol is sourced from PubChem (CID 6442590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).