[1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol

C21H24O2 — CID 18436343

IUPAC[1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol
SMILESCC1(CO)CC=C(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24O2/c1-21(16-22)13-11-19(12-14-21)18-7-9-20(10-8-18)23-15-17-5-3-2-4-6-17/h2-11,22H,12-16H2,1H3
InChIKeyVKFVFPDLCSTXQR-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.83
Rot. Bonds5

About [1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol

[1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol (PubChem CID 18436343) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is [1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol
PubChem CID18436343
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name[1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol
SMILESCC1(CO)CC=C(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24O2/c1-21(16-22)13-11-19(12-14-21)18-7-9-20(10-8-18)23-15-17-5-3-2-4-6-17/h2-11,22H,12-16H2,1H3
InChIKeyVKFVFPDLCSTXQR-UHFFFAOYSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
CID 130414791
CID 101083627
CID 101083627
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
4-(4-phenylmethoxyphenyl)-2,3-dihydropyridine
CID 172710264
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387
2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol
CID 81416557
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-[3-(diethoxymethyl)cyclohexa-1,3-dien-1-yl]-4-phenylmethoxybenzene
CID 173221594

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol (CID 18436343) is [1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol is CC1(CO)CC=C(c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of [1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is VKFVFPDLCSTXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-21(16-22)13-11-19(12-14-21)18-7-9-20(10-8-18)23-15-17-5-3-2-4-6-17/h2-11,22H,12-16H2,1H3.
What are the key properties of [1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol?
[1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 308.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 18436343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).