(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol

C18H22O3 — CID 116754309

IUPAC(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol
SMILESCCOC1(C(O)c2cccc3ccccc23)CCOCC1
InChIInChI=1S/C18H22O3/c1-2-21-18(10-12-20-13-11-18)17(19)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,17,19H,2,10-13H2,1H3
InChIKeyBTCGMROXTSKCNA-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.46
Rot. Bonds4

About (4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol

(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol (PubChem CID 116754309) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol
PubChem CID116754309
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol
SMILESCCOC1(C(O)c2cccc3ccccc23)CCOCC1
InChIInChI=1S/C18H22O3/c1-2-21-18(10-12-20-13-11-18)17(19)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,17,19H,2,10-13H2,1H3
InChIKeyBTCGMROXTSKCNA-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754234
4-[hydroxy(naphthalen-1-yl)methyl]oxane-4-carbonitrile
CID 79136500
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol
CID 116755399
(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754252
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 116754328
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754158
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719
(3,4-dichlorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754164
4-(aminomethyl)-N-(1-naphthalen-1-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120919076
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol?
The IUPAC name of (4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol (CID 116754309) is (4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol?
The canonical SMILES for (4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol is CCOC1(C(O)c2cccc3ccccc23)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol?
The InChIKey is BTCGMROXTSKCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-2-21-18(10-12-20-13-11-18)17(19)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,17,19H,2,10-13H2,1H3.
What are the key properties of (4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol?
(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol has a molecular weight of 286.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 116754309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).