(1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol

C14H20O2 — CID 134219968

IUPAC(1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol
SMILESOC1=CCC(CCC2=CC[C@H](O)C=C2)CC1
InChIInChI=1S/C14H20O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-4,7,9,12-13,15-16H,1-2,5-6,8,10H2/t12?,13-/m1/s1
InChIKeyJGZKLOMNVFDIFY-ZGTCLIOFSA-N
MW220.31 g/mol
LogP3.26
Rot. Bonds3

About (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol

(1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol (PubChem CID 134219968) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol
PubChem CID134219968
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol
SMILESOC1=CCC(CCC2=CC[C@H](O)C=C2)CC1
InChIInChI=1S/C14H20O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-4,7,9,12-13,15-16H,1-2,5-6,8,10H2/t12?,13-/m1/s1
InChIKeyJGZKLOMNVFDIFY-ZGTCLIOFSA-N
XLogP3.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol with MolForge

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Related Compounds

4-(4-methylpent-3-enyl)cyclohexen-1-ol
CID 102261794
4-fluorocyclohexen-1-ol
CID 89060796
1-[4-hydroxy-5-[(4-hydroxycyclohex-3-en-1-yl)methyl]cyclohexen-1-yl]pyrrolidine-2,5-dione
CID 163511967
4-propan-2-ylcyclohexa-2,4-dien-1-ol
CID 139242852
tert-butyl 4-[(4-hydroxycyclohex-3-en-1-yl)methyl]piperazine-1-carboxylate
CID 167242672
1-[4-[[4-(2-cyclopropylethyl)cyclohexa-2,4-dien-1-yl]methyl]phenoxy]butan-2-ol
CID 167034985
4-(ethylamino)cyclohexen-1-ol
CID 89171409
4-hydroxycyclohex-3-ene-1-carboxylic acid
CID 55302537
[(4R)-4-propylcyclohexen-1-yl]methanol
CID 163783069
4-butylcyclohexene-1-carboxylic acid
CID 14066826
5-fluoro-2-propylcyclohexa-1,3-diene
CID 123958861
2-(4-methoxycyclohex-3-en-1-yl)ethanol
CID 19370217

Frequently Asked Questions

What is the IUPAC name of (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol (CID 134219968) is (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol is OC1=CCC(CCC2=CC[C@H](O)C=C2)CC1.
What is the InChIKey of (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is JGZKLOMNVFDIFY-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H20O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-4,7,9,12-13,15-16H,1-2,5-6,8,10H2/t12?,13-/m1/s1.
What are the key properties of (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol?
(1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 220.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-[2-(4-hydroxycyclohex-3-en-1-yl)ethyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 134219968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).