1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol

C23H30O — CID 23121465

IUPAC1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC(C)Cc1ccc(C(C)c2ccc3c(c2)CCCC3(C)O)cc1
InChIInChI=1S/C23H30O/c1-16(2)14-18-7-9-19(10-8-18)17(3)20-11-12-22-21(15-20)6-5-13-23(22,4)24/h7-12,15-17,24H,5-6,13-14H2,1-4H3
InChIKeyBLSRBLSIVIZDAD-UHFFFAOYSA-N
MW322.49 g/mol
LogP5.58
Rot. Bonds4

About 1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol

1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 23121465) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID23121465
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC(C)Cc1ccc(C(C)c2ccc3c(c2)CCCC3(C)O)cc1
InChIInChI=1S/C23H30O/c1-16(2)14-18-7-9-19(10-8-18)17(3)20-11-12-22-21(15-20)6-5-13-23(22,4)24/h7-12,15-17,24H,5-6,13-14H2,1-4H3
InChIKeyBLSRBLSIVIZDAD-UHFFFAOYSA-N
XLogP5.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
CID 63430886
5-hydroxy-5-methyl-7,8-dihydro-6H-naphthalene-2-carbonitrile
CID 102408738
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380727
1-[(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]-N-[[(1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]methanamine
CID 18599438
1,1,4,4-tetramethyl-6-(2-methylpropyl)-2,3-dihydronaphthalene
CID 59409873
2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol
CID 66557261
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl-[2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylazaniumyl]ethyl]azanium
CID 25195403
N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]propan-2-amine;hydrochloride
CID 53400170
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
[(1R,4aR,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
CID 7067285

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 23121465) is 1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol is CC(C)Cc1ccc(C(C)c2ccc3c(c2)CCCC3(C)O)cc1.
What is the InChIKey of 1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is BLSRBLSIVIZDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-16(2)14-18-7-9-19(10-8-18)17(3)20-11-12-22-21(15-20)6-5-13-23(22,4)24/h7-12,15-17,24H,5-6,13-14H2,1-4H3.
What are the key properties of 1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol?
1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 322.49 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 23121465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).