(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol

C14H19ClO3 — CID 58583048

IUPAC(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol
SMILESC=CCOCCc1ccc(OC[C@@H](O)CCl)cc1
InChIInChI=1S/C14H19ClO3/c1-2-8-17-9-7-12-3-5-14(6-4-12)18-11-13(16)10-15/h2-6,13,16H,1,7-11H2/t13-/m0/s1
InChIKeyOXXNWMBRIKMDBA-ZDUSSCGKSA-N
MW270.76 g/mol
LogP2.41
Rot. Bonds9

About (2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol

(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol (PubChem CID 58583048) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol
PubChem CID58583048
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol
SMILESC=CCOCCc1ccc(OC[C@@H](O)CCl)cc1
InChIInChI=1S/C14H19ClO3/c1-2-8-17-9-7-12-3-5-14(6-4-12)18-11-13(16)10-15/h2-6,13,16H,1,7-11H2/t13-/m0/s1
InChIKeyOXXNWMBRIKMDBA-ZDUSSCGKSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;1-(propan-2-ylamino)-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol
CID 158038084
1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol
CID 118016842
1-[4-[[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]butan-2-ol;ethane
CID 143919870
(Z)-but-2-enedioic acid;(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol;(2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;4-(2-hydroxyethyl)phenol;methane;tris((2S)-1-(propan-2-ylamino)-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol);4-(2-prop-2-enoxyethyl)phenol;(2R)-2-[[4-(2-prop-2-enoxyethyl)phenoxy]methyl]oxirane
CID 160599474
1-chloro-3-[4-[4-(3-chloro-2-hydroxypropoxy)phenyl]sulfanylphenoxy]propan-2-ol
CID 53311158
1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
CID 22082109
1-chloro-3-[4-[1-[4-(3-chloro-2-hydroxypropoxy)phenyl]ethyl]phenoxy]propan-2-ol
CID 101328609
bis[4-[(2R)-3-chloro-2-hydroxypropoxy]phenyl]methanone
CID 53311159
(2S)-1-[4-[[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]methyl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 90373843
1-[4-[[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 77143240
(2R)-1-[4-[[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]methyl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 66562991
formaldehyde;1-[4-[(4-propoxyphenyl)methyl]phenoxy]pent-4-en-2-ol;tungsten
CID 162126858

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol (CID 58583048) is (2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol is C=CCOCCc1ccc(OC[C@@H](O)CCl)cc1.
What is the InChIKey of (2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol?
The InChIKey is OXXNWMBRIKMDBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-2-8-17-9-7-12-3-5-14(6-4-12)18-11-13(16)10-15/h2-6,13,16H,1,7-11H2/t13-/m0/s1.
What are the key properties of (2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol?
(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol has a molecular weight of 270.76 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 58583048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).