(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol

C18H28O2 — CID 116756160

IUPAC(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol
SMILESCCOC1(C(O)c2cc(C)cc(C)c2)CCCCCC1
InChIInChI=1S/C18H28O2/c1-4-20-18(9-7-5-6-8-10-18)17(19)16-12-14(2)11-15(3)13-16/h11-13,17,19H,4-10H2,1-3H3
InChIKeyNXOHYDIUYRQVFM-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.47
Rot. Bonds4

About (3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol

(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol (PubChem CID 116756160) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol
PubChem CID116756160
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol
SMILESCCOC1(C(O)c2cc(C)cc(C)c2)CCCCCC1
InChIInChI=1S/C18H28O2/c1-4-20-18(9-7-5-6-8-10-18)17(19)16-12-14(2)11-15(3)13-16/h11-13,17,19H,4-10H2,1-3H3
InChIKeyNXOHYDIUYRQVFM-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 116753671
(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methanol
CID 116753621
(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 116756092
(1-ethoxycyclopentyl)-(4-methylphenyl)methanol
CID 116753072
[(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 105278518
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630
(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methanol
CID 116753536
1-(1-ethoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 116753691
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753700
1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451734
(1-ethoxycyclohexyl)-(1-ethylpyrazol-4-yl)methanol
CID 116753795
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol?
The IUPAC name of (3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol (CID 116756160) is (3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol.
What is the SMILES notation for (3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol?
The canonical SMILES for (3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol is CCOC1(C(O)c2cc(C)cc(C)c2)CCCCCC1.
What is the InChIKey of (3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol?
The InChIKey is NXOHYDIUYRQVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-20-18(9-7-5-6-8-10-18)17(19)16-12-14(2)11-15(3)13-16/h11-13,17,19H,4-10H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol?
(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol has a molecular weight of 276.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol is sourced from PubChem (CID 116756160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).