2-adamantyl-(3-ethoxyphenyl)methanol

C19H26O2 — CID 115827511

IUPAC2-adamantyl-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C19H26O2/c1-2-21-17-5-3-4-14(11-17)19(20)18-15-7-12-6-13(9-15)10-16(18)8-12/h3-5,11-13,15-16,18-20H,2,6-10H2,1H3
InChIKeyADJLZMLEMQDPMQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.19
Rot. Bonds4

About 2-adamantyl-(3-ethoxyphenyl)methanol

2-adamantyl-(3-ethoxyphenyl)methanol (PubChem CID 115827511) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-adamantyl-(3-ethoxyphenyl)methanol.

Molecular Properties

Compound Name2-adamantyl-(3-ethoxyphenyl)methanol
PubChem CID115827511
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name2-adamantyl-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C19H26O2/c1-2-21-17-5-3-4-14(11-17)19(20)18-15-7-12-6-13(9-15)10-16(18)8-12/h3-5,11-13,15-16,18-20H,2,6-10H2,1H3
InChIKeyADJLZMLEMQDPMQ-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
CID 107005428
(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749184
chloro-(3-ethoxyphenyl)methanol
CID 141156919
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
CID 103170186
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
CID 116712902
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
3-bromo-1-(3-ethoxyphenyl)propane-1,2-diol
CID 171859918
N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
CID 105022208

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(3-ethoxyphenyl)methanol?
The IUPAC name of 2-adamantyl-(3-ethoxyphenyl)methanol (CID 115827511) is 2-adamantyl-(3-ethoxyphenyl)methanol.
What is the SMILES notation for 2-adamantyl-(3-ethoxyphenyl)methanol?
The canonical SMILES for 2-adamantyl-(3-ethoxyphenyl)methanol is CCOc1cccc(C(O)C2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of 2-adamantyl-(3-ethoxyphenyl)methanol?
The InChIKey is ADJLZMLEMQDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-21-17-5-3-4-14(11-17)19(20)18-15-7-12-6-13(9-15)10-16(18)8-12/h3-5,11-13,15-16,18-20H,2,6-10H2,1H3.
What are the key properties of 2-adamantyl-(3-ethoxyphenyl)methanol?
2-adamantyl-(3-ethoxyphenyl)methanol has a molecular weight of 286.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(3-ethoxyphenyl)methanol is sourced from PubChem (CID 115827511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).