1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol

C22H30O — CID 127029340

IUPAC1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCC(C)C(C)C1(c2ccc3ccccc3c2)CCC(C)(O)CC1
InChIInChI=1S/C22H30O/c1-16(2)17(3)22(13-11-21(4,23)12-14-22)20-10-9-18-7-5-6-8-19(18)15-20/h5-10,15-17,23H,11-14H2,1-4H3
InChIKeyACDPLKGNXLRNDC-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.69
Rot. Bonds3

About 1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol

1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 127029340) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol
PubChem CID127029340
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCC(C)C(C)C1(c2ccc3ccccc3c2)CCC(C)(O)CC1
InChIInChI=1S/C22H30O/c1-16(2)17(3)22(13-11-21(4,23)12-14-22)20-10-9-18-7-5-6-8-19(18)15-20/h5-10,15-17,23H,11-14H2,1-4H3
InChIKeyACDPLKGNXLRNDC-UHFFFAOYSA-N
XLogP5.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dehydroabietyl alcohol
CID 15586718
1-Pyrenebutanol
CID 2762672
4-[(Dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
CID 58954900
3alpha-HYDROXY-4,4-BISNOR-8,11,13-PODOCARPATRIENE
CID 6708760
2-Naphthaleneethanol, 5,6,7,8-tetrahydro-beta,5,5,8,8-pentamethyl-
CID 174302
(4-Tert-butyl-2-naphthalen-2-yl-6-propan-2-ylphenyl)methanol
CID 57395755
(4-Tert-butyl-2-naphthalen-1-yl-6-propan-2-ylphenyl)methanol
CID 57399211
(1R,2R,4aS,8aS)-1-[(E,3R)-5-(2,5-dimethylphenyl)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118735708
(1R,2R,4aS,8aS)-1-[(E,3R)-5-(2,6-dimethylphenyl)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118735715
Kujigamberol
CID 60144403
Triptobenzene L
CID 44575324
2,6-Bis(2-hydroxy-2-propyl)naphthalene
CID 185558

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of 1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol (CID 127029340) is 1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol is CC(C)C(C)C1(c2ccc3ccccc3c2)CCC(C)(O)CC1.
What is the InChIKey of 1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is ACDPLKGNXLRNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-16(2)17(3)22(13-11-21(4,23)12-14-22)20-10-9-18-7-5-6-8-19(18)15-20/h5-10,15-17,23H,11-14H2,1-4H3.
What are the key properties of 1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol?
1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 310.48 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylbutan-2-yl)-4-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 127029340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).