(5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol

C18H24O2 — CID 5456903

IUPAC(5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol
SMILESCOc1ccc(/C=C2\C(O)=C(C(C)C)CC[C@H]2C)cc1
InChIInChI=1S/C18H24O2/c1-12(2)16-10-5-13(3)17(18(16)19)11-14-6-8-15(20-4)9-7-14/h6-9,11-13,19H,5,10H2,1-4H3/b17-11-/t13-/m1/s1
InChIKeyZGQHEYUKEFPBSW-GPLLRDDGSA-N
MW272.39 g/mol
LogP4.98
Rot. Bonds3

About (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol

(5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol (PubChem CID 5456903) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol.

Molecular Properties

Compound Name(5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol
PubChem CID5456903
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol
SMILESCOc1ccc(/C=C2\C(O)=C(C(C)C)CC[C@H]2C)cc1
InChIInChI=1S/C18H24O2/c1-12(2)16-10-5-13(3)17(18(16)19)11-14-6-8-15(20-4)9-7-14/h6-9,11-13,19H,5,10H2,1-4H3/b17-11-/t13-/m1/s1
InChIKeyZGQHEYUKEFPBSW-GPLLRDDGSA-N
XLogP4.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol with MolForge

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Related Compounds

cis-(3R,6R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 7064759
3-ethyl-2-[(4-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642942
3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-diol
CID 163086168
(1R,2E,5S)-2-[(4-methoxyphenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 11425391
trans-(3S,6R)-2-[(4-hydroxyphenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 8831264
4-[(4-methoxyphenyl)methylidene]piperidine
CID 20811455
(3E)-3-[(4-methoxyphenyl)methylidene]dithiolane
CID 125475815
(2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one
CID 68642813
methyl 2-[5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 3937394
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
[4-[(Z)-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]-6-methyl-3-oxocyclohexylidene]methyl]phenyl] benzoate
CID 87824720
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
CID 67564177

Frequently Asked Questions

What is the IUPAC name of (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol?
The IUPAC name of (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol (CID 5456903) is (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol.
What is the SMILES notation for (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol?
The canonical SMILES for (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol is COc1ccc(/C=C2\C(O)=C(C(C)C)CC[C@H]2C)cc1.
What is the InChIKey of (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol?
The InChIKey is ZGQHEYUKEFPBSW-GPLLRDDGSA-N. The full InChI is InChI=1S/C18H24O2/c1-12(2)16-10-5-13(3)17(18(16)19)11-14-6-8-15(20-4)9-7-14/h6-9,11-13,19H,5,10H2,1-4H3/b17-11-/t13-/m1/s1.
What are the key properties of (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol?
(5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol has a molecular weight of 272.39 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6Z)-6-[(4-methoxyphenyl)methylidene]-5-methyl-2-propan-2-ylcyclohexen-1-ol is sourced from PubChem (CID 5456903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).