cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol

C18H22O2 — CID 139705954

IUPACcis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol
SMILESCCOc1ccc2ccccc2c1[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C18H22O2/c1-2-20-17-12-11-13-7-3-4-8-14(13)18(17)15-9-5-6-10-16(15)19/h3-4,7-8,11-12,15-16,19H,2,5-6,9-10H2,1H3/t15-,16+/m1/s1
InChIKeyIKSITEMVWVORMH-CVEARBPZSA-N
MW270.37 g/mol
LogP4.26
Rot. Bonds3

About cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol

cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol (PubChem CID 139705954) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol
PubChem CID139705954
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Namecis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol
SMILESCCOc1ccc2ccccc2c1[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C18H22O2/c1-2-20-17-12-11-13-7-3-4-8-14(13)18(17)15-9-5-6-10-16(15)19/h3-4,7-8,11-12,15-16,19H,2,5-6,9-10H2,1H3/t15-,16+/m1/s1
InChIKeyIKSITEMVWVORMH-CVEARBPZSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2S)-2-[2-(methylsulfanylmethoxy)naphthalen-1-yl]cyclohexan-1-ol
CID 139705915
cis-(1R,2R)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139706022
cis-(1S,2S)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705882
cis-(1R,2R)-2-(2-cyclohexylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705994
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
cyclooctyl-[(2-ethoxynaphthalen-1-yl)methyl]azanium
CID 8620919
(2-ethoxynaphthalen-1-yl)-dimethylborane
CID 67978534
2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
(Z)-2-cyano-N-cyclopentyl-3-(2-ethoxynaphthalen-1-yl)prop-2-enamide
CID 126196041
(S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171233021
(2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 7101246
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol (CID 139705954) is cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol is CCOc1ccc2ccccc2c1[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol?
The InChIKey is IKSITEMVWVORMH-CVEARBPZSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-20-17-12-11-13-7-3-4-8-14(13)18(17)15-9-5-6-10-16(15)19/h3-4,7-8,11-12,15-16,19H,2,5-6,9-10H2,1H3/t15-,16+/m1/s1.
What are the key properties of cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol?
cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 139705954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).