1-(3-chloro-4-ethoxyphenyl)ethanol

C10H13ClO2 — CID 82076442

IUPAC1-(3-chloro-4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(C)O)cc1Cl
InChIInChI=1S/C10H13ClO2/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-7,12H,3H2,1-2H3
InChIKeyIHZGXHLTUNFICP-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.79
Rot. Bonds3

About 1-(3-chloro-4-ethoxyphenyl)ethanol

1-(3-chloro-4-ethoxyphenyl)ethanol (PubChem CID 82076442) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)ethanol
PubChem CID82076442
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name1-(3-chloro-4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(C)O)cc1Cl
InChIInChI=1S/C10H13ClO2/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-7,12H,3H2,1-2H3
InChIKeyIHZGXHLTUNFICP-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butoxy-3-chlorophenyl)ethanol
CID 91632940
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-[3-chloro-4-(3-ethoxyphenoxy)phenyl]ethanol
CID 62911183
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
(1R)-1-[3-chloro-4-(3-methylsulfanylpropoxy)phenyl]ethanol
CID 104863661
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 113389961
(1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410329

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)ethanol (CID 82076442) is 1-(3-chloro-4-ethoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)ethanol is CCOc1ccc(C(C)O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)ethanol?
The InChIKey is IHZGXHLTUNFICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-7,12H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)ethanol?
1-(3-chloro-4-ethoxyphenyl)ethanol has a molecular weight of 200.66 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)ethanol is sourced from PubChem (CID 82076442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).