1-(3-ethylphenyl)-2-naphthalen-2-ylethanol

C20H20O — CID 105117200

IUPAC1-(3-ethylphenyl)-2-naphthalen-2-ylethanol
SMILESCCc1cccc(C(O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H20O/c1-2-15-6-5-9-19(12-15)20(21)14-16-10-11-17-7-3-4-8-18(17)13-16/h3-13,20-21H,2,14H2,1H3
InChIKeyIZNDPGAPPFLBIB-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.68
Rot. Bonds4

About 1-(3-ethylphenyl)-2-naphthalen-2-ylethanol

1-(3-ethylphenyl)-2-naphthalen-2-ylethanol (PubChem CID 105117200) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-naphthalen-2-ylethanol.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-naphthalen-2-ylethanol
PubChem CID105117200
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name1-(3-ethylphenyl)-2-naphthalen-2-ylethanol
SMILESCCc1cccc(C(O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H20O/c1-2-15-6-5-9-19(12-15)20(21)14-16-10-11-17-7-3-4-8-18(17)13-16/h3-13,20-21H,2,14H2,1H3
InChIKeyIZNDPGAPPFLBIB-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
ethane;2-ethylnaphthalene
CID 90684887
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
1-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115823932
2-ethylnaphthalene;N-methylmethanamine;hydrochloride
CID 70022653
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
1-anthracen-2-ylbutan-2-ol
CID 141488114
3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol
CID 115346033
1-(3-chlorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105076762
1-(3-fluorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105079027

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-naphthalen-2-ylethanol?
The IUPAC name of 1-(3-ethylphenyl)-2-naphthalen-2-ylethanol (CID 105117200) is 1-(3-ethylphenyl)-2-naphthalen-2-ylethanol.
What is the SMILES notation for 1-(3-ethylphenyl)-2-naphthalen-2-ylethanol?
The canonical SMILES for 1-(3-ethylphenyl)-2-naphthalen-2-ylethanol is CCc1cccc(C(O)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-naphthalen-2-ylethanol?
The InChIKey is IZNDPGAPPFLBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-2-15-6-5-9-19(12-15)20(21)14-16-10-11-17-7-3-4-8-18(17)13-16/h3-13,20-21H,2,14H2,1H3.
What are the key properties of 1-(3-ethylphenyl)-2-naphthalen-2-ylethanol?
1-(3-ethylphenyl)-2-naphthalen-2-ylethanol has a molecular weight of 276.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-naphthalen-2-ylethanol is sourced from PubChem (CID 105117200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).