3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol

C23H29ClO — CID 18177878

IUPAC3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(C(CO)Cc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C23H29ClO/c1-22(2)11-12-23(3,4)21-14-17(7-10-20(21)22)18(15-25)13-16-5-8-19(24)9-6-16/h5-10,14,18,25H,11-13,15H2,1-4H3
InChIKeyKDHXQBFCMITPMK-UHFFFAOYSA-N
MW356.94 g/mol
LogP6.01
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol

3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol (PubChem CID 18177878) has the molecular formula C23H29ClO and a molecular weight of 356.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol
PubChem CID18177878
Molecular FormulaC23H29ClO
Molecular Weight356.94 g/mol
Exact Mass356.19
IUPAC Name3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(C(CO)Cc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C23H29ClO/c1-22(2)11-12-23(3,4)21-14-17(7-10-20(21)22)18(15-25)13-16-5-8-19(24)9-6-16/h5-10,14,18,25H,11-13,15H2,1-4H3
InChIKeyKDHXQBFCMITPMK-UHFFFAOYSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.94
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol (CID 18177878) is 3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol is CC1(C)CCC(C)(C)c2cc(C(CO)Cc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol?
The InChIKey is KDHXQBFCMITPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClO/c1-22(2)11-12-23(3,4)21-14-17(7-10-20(21)22)18(15-25)13-16-5-8-19(24)9-6-16/h5-10,14,18,25H,11-13,15H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol?
3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol has a molecular weight of 356.94 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 18177878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).