(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol

C17H26O2 — CID 116755770

IUPAC(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2ccc(C)cc2C)CCCCCC1
InChIInChI=1S/C17H26O2/c1-13-8-9-15(14(2)12-13)16(18)17(19-3)10-6-4-5-7-11-17/h8-9,12,16,18H,4-7,10-11H2,1-3H3
InChIKeyLFEZCZXGDCWYNX-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.08
Rot. Bonds3

About (2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol

(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol (PubChem CID 116755770) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
PubChem CID116755770
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2ccc(C)cc2C)CCCCCC1
InChIInChI=1S/C17H26O2/c1-13-8-9-15(14(2)12-13)16(18)17(19-3)10-6-4-5-7-11-17/h8-9,12,16,18H,4-7,10-11H2,1-3H3
InChIKeyLFEZCZXGDCWYNX-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methanol
CID 116753536
(1-methoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753417
(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755970
(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
(2-fluoro-4,6-dimethylphenyl)-(1-methoxycyclohexyl)methanol
CID 106881183
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116755788
(2-fluoro-4-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 103395478
(1-ethoxycyclopentyl)-(4-methoxy-2-methylphenyl)methanol
CID 116753155
(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610351
(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769039
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753700

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol (CID 116755770) is (2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol is COC1(C(O)c2ccc(C)cc2C)CCCCCC1.
What is the InChIKey of (2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol?
The InChIKey is LFEZCZXGDCWYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13-8-9-15(14(2)12-13)16(18)17(19-3)10-6-4-5-7-11-17/h8-9,12,16,18H,4-7,10-11H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol?
(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol has a molecular weight of 262.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 116755770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).