(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol

C17H20O2 — CID 107002440

IUPAC(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol
SMILESCOc1ccc(C(O)C2CC2(C)C)c2ccccc12
InChIInChI=1S/C17H20O2/c1-17(2)10-14(17)16(18)13-8-9-15(19-3)12-7-5-4-6-11(12)13/h4-9,14,16,18H,10H2,1-3H3
InChIKeyXVLHRCPWFCMDCK-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.93
Rot. Bonds3

About (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol

(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol (PubChem CID 107002440) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol
PubChem CID107002440
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol
SMILESCOc1ccc(C(O)C2CC2(C)C)c2ccccc12
InChIInChI=1S/C17H20O2/c1-17(2)10-14(17)16(18)13-8-9-15(19-3)12-7-5-4-6-11(12)13/h4-9,14,16,18H,10H2,1-3H3
InChIKeyXVLHRCPWFCMDCK-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2-dimethylcyclopentyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107181495
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 107000919
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
(4-bromonaphthalen-1-yl)-(2,2-dimethylcyclopropyl)methanol
CID 107002540
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
2-bromo-2,2-difluoro-1-(4-methoxynaphthalen-1-yl)ethanol
CID 107140252
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
2-cyclobutyl-1-(4-methoxynaphthalen-1-yl)ethanol
CID 103165335
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
CID 170818647
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
(3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181873
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol (CID 107002440) is (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol is COc1ccc(C(O)C2CC2(C)C)c2ccccc12.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol?
The InChIKey is XVLHRCPWFCMDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-17(2)10-14(17)16(18)13-8-9-15(19-3)12-7-5-4-6-11(12)13/h4-9,14,16,18H,10H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol?
(2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol has a molecular weight of 256.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(4-methoxynaphthalen-1-yl)methanol is sourced from PubChem (CID 107002440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).