1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C18H21ClO2 — CID 174746011

IUPAC1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC=CCl
InChIInChI=1S/C15H16O2.C3H5Cl/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-3-4/h3-10,16-17H,1-2H3;2-3H,1H3
InChIKeyOSGVMMBHFCRITC-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.18
Rot. Bonds2

About 1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 174746011) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID174746011
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC=CCl
InChIInChI=1S/C15H16O2.C3H5Cl/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-3-4/h3-10,16-17H,1-2H3;2-3H,1H3
InChIKeyOSGVMMBHFCRITC-UHFFFAOYSA-N
XLogP5.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium
CID 20637487
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325

Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 174746011) is 1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC=CCl.
What is the InChIKey of 1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is OSGVMMBHFCRITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C3H5Cl/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-2-3-4/h3-10,16-17H,1-2H3;2-3H,1H3.
What are the key properties of 1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 304.82 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-1-ene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 174746011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).