(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol

C19H24O2 — CID 116542374

IUPAC(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCCOc1cccc(C(O)c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C19H24O2/c1-4-21-18-10-6-9-17(13-18)19(20)16-8-5-7-15(12-16)11-14(2)3/h5-10,12-14,19-20H,4,11H2,1-3H3
InChIKeyGJMQCBIWFXXAPA-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.37
Rot. Bonds6

About (3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol

(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol (PubChem CID 116542374) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
PubChem CID116542374
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCCOc1cccc(C(O)c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C19H24O2/c1-4-21-18-10-6-9-17(13-18)19(20)16-8-5-7-15(12-16)11-14(2)3/h5-10,12-14,19-20H,4,11H2,1-3H3
InChIKeyGJMQCBIWFXXAPA-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
(3-ethoxyphenyl)-(furan-3-yl)methanol
CID 63948949
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
chloro-(3-ethoxyphenyl)methanol
CID 141156919
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
(2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 105131164
(2,4-dimethylphenyl)-(3-ethoxyphenyl)methanol
CID 62802337

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol (CID 116542374) is (3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol is CCOc1cccc(C(O)c2cccc(CC(C)C)c2)c1.
What is the InChIKey of (3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol?
The InChIKey is GJMQCBIWFXXAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-4-21-18-10-6-9-17(13-18)19(20)16-8-5-7-15(12-16)11-14(2)3/h5-10,12-14,19-20H,4,11H2,1-3H3.
What are the key properties of (3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol?
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol has a molecular weight of 284.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 116542374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).