4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol

C27H33ClO2 — CID 129225796

IUPAC4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESOc1ccc(C(=C(CCCCl)C2CCC(C3CCCC3)C2)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H33ClO2/c28-17-3-6-26(23-8-7-22(18-23)19-4-1-2-5-19)27(20-9-13-24(29)14-10-20)21-11-15-25(30)16-12-21/h9-16,19,22-23,29-30H,1-8,17-18H2
InChIKeyTZWZUJBKKIMWOM-UHFFFAOYSA-N
MW425.01 g/mol
LogP7.53
Rot. Bonds7

About 4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol

4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol (PubChem CID 129225796) has the molecular formula C27H33ClO2 and a molecular weight of 425.01 g/mol. Its IUPAC name is 4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol
PubChem CID129225796
Molecular FormulaC27H33ClO2
Molecular Weight425.01 g/mol
Exact Mass424.22
IUPAC Name4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol
SMILESOc1ccc(C(=C(CCCCl)C2CCC(C3CCCC3)C2)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H33ClO2/c28-17-3-6-26(23-8-7-22(18-23)19-4-1-2-5-19)27(20-9-13-24(29)14-10-20)21-11-15-25(30)16-12-21/h9-16,19,22-23,29-30H,1-8,17-18H2
InChIKeyTZWZUJBKKIMWOM-UHFFFAOYSA-N
XLogP7.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.01
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol
CID 91472971
4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol
CID 123434442
4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol
CID 58381656
cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron
CID 162289921
4-(3-cyclopentylcyclopentyl)phenol
CID 57025920
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107311653
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 4-hydroxybenzoate
CID 122423295
cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron
CID 162301242
4-[5-chloro-2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 118056063
1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 134291941
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962878
4-[2-cyclopenta-2,4-dien-1-yl-5-hydroxy-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 141456469

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The IUPAC name of 4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol (CID 129225796) is 4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol.
What is the SMILES notation for 4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The canonical SMILES for 4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol is Oc1ccc(C(=C(CCCCl)C2CCC(C3CCCC3)C2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
The InChIKey is TZWZUJBKKIMWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClO2/c28-17-3-6-26(23-8-7-22(18-23)19-4-1-2-5-19)27(20-9-13-24(29)14-10-20)21-11-15-25(30)16-12-21/h9-16,19,22-23,29-30H,1-8,17-18H2.
What are the key properties of 4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol?
4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol has a molecular weight of 425.01 g/mol, XLogP of 7.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol is sourced from PubChem (CID 129225796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).