[3-(3-chloropropoxy)phenyl]methanol

C10H13ClO2 — CID 15724711

IUPAC[3-(3-chloropropoxy)phenyl]methanol
SMILESOCc1cccc(OCCCCl)c1
InChIInChI=1S/C10H13ClO2/c11-5-2-6-13-10-4-1-3-9(7-10)8-12/h1,3-4,7,12H,2,5-6,8H2
InChIKeyMHAADZRDXDMOCP-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.19
Rot. Bonds5

About [3-(3-chloropropoxy)phenyl]methanol

[3-(3-chloropropoxy)phenyl]methanol (PubChem CID 15724711) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is [3-(3-chloropropoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-chloropropoxy)phenyl]methanol
PubChem CID15724711
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name[3-(3-chloropropoxy)phenyl]methanol
SMILESOCc1cccc(OCCCCl)c1
InChIInChI=1S/C10H13ClO2/c11-5-2-6-13-10-4-1-3-9(7-10)8-12/h1,3-4,7,12H,2,5-6,8H2
InChIKeyMHAADZRDXDMOCP-UHFFFAOYSA-N
XLogP2.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(hydroxymethyl)phenoxy]butanamide
CID 123197567
ethane;[3-(2-fluoroethoxy)phenyl]methanol
CID 144572015
[3-(2-butoxyethoxy)phenyl]methanol
CID 61483192
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
2-[3-(hydroxymethyl)phenoxy]ethyl carbamate
CID 175060883
[3-(2-azidoethoxy)phenyl]methanol
CID 59552460
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
(3-prop-2-ynoxyphenyl)methanol
CID 10797067
(3-methoxyphenyl)(113C)methanol
CID 11593446
4-[3-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]phenoxy]butanenitrile
CID 119123747
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
[3-(oxiren-2-ylmethoxy)phenyl]methanol
CID 163982140

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloropropoxy)phenyl]methanol?
The IUPAC name of [3-(3-chloropropoxy)phenyl]methanol (CID 15724711) is [3-(3-chloropropoxy)phenyl]methanol.
What is the SMILES notation for [3-(3-chloropropoxy)phenyl]methanol?
The canonical SMILES for [3-(3-chloropropoxy)phenyl]methanol is OCc1cccc(OCCCCl)c1.
What is the InChIKey of [3-(3-chloropropoxy)phenyl]methanol?
The InChIKey is MHAADZRDXDMOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c11-5-2-6-13-10-4-1-3-9(7-10)8-12/h1,3-4,7,12H,2,5-6,8H2.
What are the key properties of [3-(3-chloropropoxy)phenyl]methanol?
[3-(3-chloropropoxy)phenyl]methanol has a molecular weight of 200.66 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloropropoxy)phenyl]methanol is sourced from PubChem (CID 15724711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).